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Chemical ID: 6470450
Chemical ID:
6470450
Name [?]:
2-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILES [?]:
Cc1ccccc1C(=O)NCCN2CCCC2
InChi [?]:
InChI=1/C14H20N2O/c1-12-6-2-3-7-13(12)14(17)15-8-11-16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,15,16,3,6,11,14,17,12,2,7,8,10,13,9/E:(4,5)(9,10)/rA:17nCCCCCCCCONCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97894 |
Area: | 434.819 |
Solvation: | -1.89153 |
Coulombic: | -28.1483 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.22 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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